1-[1-benzothiophen-2-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-2-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(4-benzyloxy-3,5-dimethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(4-benzoxy-3,5-dimethoxy-phenyl)methyl]proline Formula: C29H29NO5S MolecularWeight: 503.60926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=CC=CC=C4S3)N5CCCC5C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=CC=CC=C4S3)N5CCCC5C(=O)O

InChI

InChI=1S/C29H29NO5S/c1-33-23-15-21(16-24(34-2)28(23)35-18-19-9-4-3-5-10-19)27(30-14-8-12-22(30)29(31)32)26-17-20-11-6-7-13-25(20)36-26/h3-7,9-11,13,15-17,22,27H,8,12,14,18H2,1-2H3,(H,31,32)